2-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N5O2/c24-16-19-4-1-2-5-20(19)17-30-21-8-6-18(7-9-21)22(29)27-12-14-28(15-13-27)23-25-10-3-11-26-23/h1-11H,12-15,17H2